CID 2724969

6-methylbenzoxazole

Structural Information

Molecular Formula
C8H7NO
SMILES
CC1=CC2=C(C=C1)N=CO2
InChI
InChI=1S/C8H7NO/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3
InChIKey
SZWNDAUMBWLYOQ-UHFFFAOYSA-N
Compound name
6-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2308
Patents

133.05276 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.060036 120.8
[M+Na]+ 156.041978 132.3
[M-H]- 132.045484 125.7
[M+NH4]+ 151.086583 143.5
[M+K]+ 172.015918 131.2
[M+H-H2O]+ 116.050020 115.3
[M+HCOO]- 178.050961 146.0
[M+CH3COO]- 192.066611 136.9
[M+Na-2H]- 154.027426 131.4
[M]+ 133.05221142 124.4
[M]- 133.05330858 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.